SCHEMBL140395

SCHEMBL140395

NCCc1cc2ccccc2o1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.71
AGXT P21549 1/20 0.59
HTR2B P41595 4/20 0.46
HTR1A P08908 1/20 0.46
FLT3 P36888 1/20 0.46
CYP19A1 P11511 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 3/20 0.43
CA2 P00918 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
DRD3 P35462 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL28674174 0.98 LOXL2 (0.69) LOXL2AGXTHTR2BHTR1AFLT3
SCHEMBL5776752 0.89 LOXL2 (0.67) LOXL2AGXTHTR2BHTR1AFLT3
SCHEMBL9826461 0.87 LOXL2 (0.65) LOXL2AGXTHTR2BHTR1AFLT3
SCHEMBL7796043 0.85 LOXL2 (0.62) LOXL2AGXTHTR2BHTR1AFLT3
SCHEMBL533908 0.83 LOXL2 (1.00) LOXL2AGXTHTR2BHTR1AFLT3
Hydrochloric Acid SCHEMBL6942058 0.82 LOXL2 (0.96) LOXL2AGXTHTR2BHTR1AFLT3
SCHEMBL9037490 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1AFLT3
SCHEMBL6013090 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL2249038 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1AFLT3
SCHEMBL4049122 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1AFLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME COFERON,INC. (US) 2015-07-16 WO disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
EP-2802608-A2 COMPOUNDS&METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS&OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2014-11-19 EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
WO-2013106646-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF VCB E3 UBIQUITIN LIGASE YALE UNIVERSITY (US) 2013-07-18 WO disclosed
WO-2013106643-A2 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE YALE UNIVERSITY (US) 2013-07-18 WO disclosed
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed
EP-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 WO disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed
EP-0009780-B1 OCTAHYDRO-1H-BENZO(4,5)FURO(3,2-E)ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-24 EP disclosed
US-4260761-A Intermediates for the preparation of octahydro-1H-benzo[4,5]furo[3,2,-e]-isoquinoline analgesic and narcotic antagonistic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-04-07 US disclosed
US-4243668-A Octahydro-1H-benzo[4,5]furo[3,2-e]-isoquinoline analgesic and narcotic antagonistic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-06 US disclosed
EP-0009780-A2 Octahydro-1H-benzo(4,5)furo(3,2-e)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 LOXL2 3764/4885AGXT 4438/4885HTR2B 3277/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.